CHEBI:196439 - PC(32:0/20:4(5Z,8Z,11Z,14Z))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PC(32:0/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:196439
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C60H112NO8P
Net Charge 0
Average Mass 1006.529
Monoisotopic Mass 1005.81256
InChI InChI=1S/C60H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-36-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,39,41,45,47,58H,6-14,16,18-20,22,24-38,40,42-44,46,48-57H2,1-5H3/b17-15-,23-21-,41-39-,47-45-/t58-/m1/s1
InChIKey CMLLLFPSZMHYRA-RZTSQQFOSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)([O-])=O
ChEBI Ontology
Outgoing PC(32:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:196439) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-dotriacontanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
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